General Information of the Compound
| Compound ID |
CP0243337
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| Compound Name |
(S)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)propyl)-3-(3,5-diacetylphenyl)urea
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| Structure |
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| Formula |
C26H32FN3O3
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| Molecular Weight |
453.558
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| Canonical SMILES |
CC(=O)c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
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| InChI |
InChI=1S/C26H32FN3O3/c1-18(31)22-14-23(19(2)32)16-25(15-22)29-26(33)28-10-4-12-30-11-3-5-21(17-30)13-20-6-8-24(27)9-7-20/h6-9,14-16,21H,3-5,10-13,17H2,1-2H3,(H2,28,29,33)/t21-/m0/s1
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| InChIKey |
PSTIGTLOMGJZKB-NRFANRHFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound